相关论文: Breakdown of the Stokes-Einstein relation in Still…
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation. The calculated static structure is in good agreement with the available X-ray and…
Here, we demonstrate an interplay between superconducting fluctuations and electron-electron interaction (EEI) by low temperature magnetotransport measurements for a set of 2D disordered TiN thin films. While cooling down the sample, a…
The diffusivity of tagged particles is demonstrated to be heterogeneous on time scales comparable to or less than the structural relaxation time %taking place at the interparticle distance in a highly supercooled liquid via 3D molecular…
We study localized nonlinear excitations of a dilute Bose-Einstein condensate (BEC) with spin-orbit coupling in a deep optical lattice (OL). We use Wannier functions to derive a tight-binding model that includes the spin-orbit coupling…
A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
Superconductivity in the cuprate oxide is studied by Kondo-lattice theory based on the t-J model with the el-ph interaction arising from the modulation of the superexchange interaction by phonons. The self-energy of electrons is decomposed…
Diffusion coefficients are key thermophysical properties for modeling mass transport in liquids, but experimental data are scarce, making reliable prediction methods indispensable. In the present work, we introduce a new method for…
The present study introduces a renormalization based approach to investigate the relaxation dynamics within supercooled liquids. By applying a numerical scale transformation to potential energies along the temporal axis, we have established…
We present the theoretical and mathematical foundations of stability analysis for a Bose-Einstein condensate (BEC) at Dirac points of a honeycomb optical lattice. The combination of s-wave scattering for bosons and lattice interaction…
Superfluid and dissipative regimes in the dynamics of a two-component quasi-one-dimensional Bose-Einstein condensate (BEC) with unequal atom numbers in the components have been explored. The system supports localized waves of the symbiotic…
Results of the idealized mode-coupling theory for the structural relaxation in suspensions of hard-sphere colloidal particles are presented and discussed with regard to recent light scattering experiments. The structural relaxation becomes…
We combine the swap Monte Carlo algorithm to long multi-CPU molecular dynamics simulations to analyse the equilibrium relaxation dynamics of model supercooled liquids over a time window covering ten orders of magnitude for temperatures down…
Slow dynamics of difluorotetrachloroethane in both supercooled plastic crystal and supercooled liquid states have been investigated from Molecular Dynamics simulations. The temperature and wave-vector dependence of collective dynamics in…
We discuss the emergence and growth of the cooperativity accompanying vitrification based on the density fluctuation dynamics for fragile glass-forming liquids. (i) The relaxation of density fluctuations proceeds by the particle (density)…
In this paper we develop a theory to calculate the structural relaxation time {\tau} {\alpha} of fragile su percooled liquids. Using the information of the configurational entropy and structure we calculate the number of dynamically free,…
We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…
Using a recently developed thermodynamic integration method, we compute the precise values of the excess Gibbs free energy (G^e) of the high density liquid (HDL) phase with respect to the crystalline phase at different temperatures (T) in…
These compounds have long been known as promising thermoelectric materials. Recently it was revealed, that they also have unconventional electronic topology. This renewed interest to the investigation of their transport properties. In order…
In this paper the Boltzmann equation describing the carrier transport in a semiconductor is considered. A modified Chapman-Enskog method is used, in order to find approximate solutions in the weakly non-homogeneous case. These solutions…